#pragma once

#include "atom.h"
#include "para.h"
#include "mol_sys.h"
#include<vector>
#include<iostream>

using namespace std;

//Clasic
extern vector< mol_sys >velocitiesOFeach;															//store velocities of each atom at every moment
extern vector<double> acf_velocities;																	//store each value of auto-correlation-function
extern vector<double> temperatureVec;
extern vector<double> pressureVec;
extern vector<double> EkVec;
extern vector<double> EpVec;
extern vector<double> EtotalVec;
extern vector<double> timeVec;
extern vector<double> rdf;

//PIMD
extern vector< vector<Atom> >mirror;
extern vector< vector<Atom> >staging_mirror;
extern vector< vector<mol_sys>> velocitiesOFeach_PIMD;
extern vector<double> Hamiltonian_staging;
extern vector< vector<double> > temperaturePIMD_staging;
extern vector<double> EkPIMD_staging;
extern vector<double> EpPIMD_staging;
extern vector<double> EsprPIMD_staging;
extern vector<double> EtotalPIMD_staging;

extern vector<double> Hamiltonian_primitive;
extern vector< vector<double> > temperaturePIMD_primitive;
extern vector< vector<double> > EkPIMD_primitive;
extern vector< vector<double> > EpPIMD_primitive;
extern vector< vector<double> > EtotalPIMD_primitive;

extern vector<double> velocities_PIMD;
extern vector<double> forces_PIMD;
extern vector< vector<double> > coord_PIMD;
extern vector<double> velocities_Classic;
extern vector<double> forces_Classic;
extern vector< vector<double> > coord_Classic;

void test();